# generated using pymatgen data_Nd2Cu3H3Pd14 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.85535251 _cell_length_b 6.85535222 _cell_length_c 6.85535142 _cell_angle_alpha 83.10802626 _cell_angle_beta 83.10802986 _cell_angle_gamma 83.10803686 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2Cu3H3Pd14 _chemical_formula_sum 'Nd2 Cu3 H3 Pd14' _cell_volume 315.70621664 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nd Nd0 1 0.66542967 0.66542967 0.66542967 1.0 Nd Nd1 1 0.33457033 0.33457033 0.33457033 1.0 Cu Cu2 1 0.00000000 0.00000000 0.50000000 1.0 Cu Cu3 1 0.50000000 0.00000000 0.00000000 1.0 Cu Cu4 1 0.00000000 0.50000000 0.00000000 1.0 H H5 1 0.50000000 0.50000000 0.00000000 1.0 H H6 1 0.00000000 0.50000000 0.50000000 1.0 H H7 1 0.50000000 0.00000000 0.50000000 1.0 Pd Pd8 1 0.70550130 0.29449870 1.00000000 1.0 Pd Pd9 1 1.00000000 0.70550130 0.29449870 1.0 Pd Pd10 1 0.29449870 0.00000000 0.70550130 1.0 Pd Pd11 1 0.00000000 0.29449870 0.70550130 1.0 Pd Pd12 1 0.70550130 1.00000000 0.29449870 1.0 Pd Pd13 1 0.29449870 0.70550130 0.00000000 1.0 Pd Pd14 1 0.34637229 0.34637229 0.85574054 1.0 Pd Pd15 1 0.85574054 0.34637229 0.34637229 1.0 Pd Pd16 1 0.34637229 0.85574054 0.34637229 1.0 Pd Pd17 1 0.65362771 0.65362771 0.14425946 1.0 Pd Pd18 1 0.14425946 0.65362771 0.65362771 1.0 Pd Pd19 1 0.65362771 0.14425946 0.65362771 1.0 Pd Pd20 1 0.89737281 0.89737281 0.89737281 1.0 Pd Pd21 1 0.10262719 0.10262719 0.10262719 1.0